Compile Data Set for Download or QSAR

Found 297 hits of ic50 data for polymerid = 49000788,50000863,5459   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Substance-K receptor (Homo sapiens (Human))	BDBM50071484 (CHEMBL308148 | N-[(R)-4-(4-Acetylamino-4-phenyl-pi...) Show SMILES CN(C[C@@H](CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of cloned human NK2 (Neurokinin 2) receptor, stably expressed in chinese hamster ovary (CHO) cells was determined				Bioorg Med Chem Lett 8: 2259-62 (1999) BindingDB Entry DOI: 10.7270/Q2Z31XTN
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97485 (US8470816, 458) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)CO)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H30Cl3N3O4/c1-31(26(36)17-2-5-20(28)6-3-17)24-10-13-33(15-21(24)19-4-7-22(29)23(30)14-19)27(37)18-8-11-32(12-9-18)25(35)16-34/h2-7,14,18,21,24,34H,8-13,15-16H2,1H3/t21-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97489 (US8470816, 632) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)CO)C(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C28H30Cl2F3N3O4/c1-34(26(39)17-2-5-20(6-3-17)28(31,32)33)24-10-13-36(15-21(24)19-4-7-22(29)23(30)14-19)27(40)18-8-11-35(12-9-18)25(38)16-37/h2-7,14,18,21,24,37H,8-13,15-16H2,1H3/t21-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97486 (US8470816, 464) Show SMILES CN([C@@H]1CCN(CC2CCN(CC2)C(C)=O)C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H32Cl3N3O2/c1-18(34)33-13-9-19(10-14-33)16-32-12-11-26(23(17-32)21-5-8-24(29)25(30)15-21)31(2)27(35)20-3-6-22(28)7-4-20/h3-8,15,19,23,26H,9-14,16-17H2,1-2H3/t23-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97481 (US8470816, 265) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C28H30Cl2F3N3O3/c1-17(37)35-12-9-19(10-13-35)27(39)36-14-11-25(22(16-36)20-5-8-23(29)24(30)15-20)34(2)26(38)18-3-6-21(7-4-18)28(31,32)33/h3-8,15,19,22,25H,9-14,16H2,1-2H3/t22-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97490 (US8470816, 633) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)CO)C(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C27H30BrCl2N3O4/c1-31(26(36)17-2-5-20(28)6-3-17)24-10-13-33(15-21(24)19-4-7-22(29)23(30)14-19)27(37)18-8-11-32(12-9-18)25(35)16-34/h2-7,14,18,21,24,34H,8-13,15-16H2,1H3/t21-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97483 (US8470816, 292) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(cc1)C1CC1 |r| Show InChI InChI=1S/C30H35Cl2N3O3/c1-19(36)34-14-11-23(12-15-34)30(38)35-16-13-28(25(18-35)24-9-10-26(31)27(32)17-24)33(2)29(37)22-7-5-21(6-8-22)20-3-4-20/h5-10,17,20,23,25,28H,3-4,11-16,18H2,1-2H3/t25-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97479 (US8470816, 251a) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H30Cl3N3O3/c1-17(34)32-12-9-19(10-13-32)27(36)33-14-11-25(22(16-33)20-5-8-23(29)24(30)15-20)31(2)26(35)18-3-6-21(28)7-4-18/h3-8,15,19,22,25H,9-14,16H2,1-2H3/t22-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97487 (US8470816, 623) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)C1(O)CC1)C(=O)c1ccc(cc1)N1CCOCC1 |r| Show InChI InChI=1S/C33H40Cl2N4O5/c1-36(30(40)22-2-5-25(6-3-22)37-16-18-44-19-17-37)29-10-15-39(21-26(29)24-4-7-27(34)28(35)20-24)31(41)23-8-13-38(14-9-23)32(42)33(43)11-12-33/h2-7,20,23,26,29,43H,8-19,21H2,1H3/t26-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97491 (US8470816, 635) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)CO)C(=O)c1ccc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C27H29Cl2F3N4O4/c1-34(26(40)22-5-3-18(13-33-22)27(30,31)32)23-8-11-36(14-19(23)17-2-4-20(28)21(29)12-17)25(39)16-6-9-35(10-7-16)24(38)15-37/h2-5,12-13,16,19,23,37H,6-11,14-15H2,1H3/t19-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.360	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50170968 ((S)-5-(3,4-Dichloro-phenyl)-1-(4,4-difluoro-cycloh...) Show SMILES FC1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CCC(F)(F)CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C28H38Cl2F3N3O/c29-24-2-1-21(15-25(24)30)27(11-14-34-17-23(18-34)35-12-6-22(31)7-13-35)8-5-26(37)36(19-27)16-20-3-9-28(32,33)10-4-20/h1-2,15,20,22-23H,3-14,16-19H2/t27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human Neurokinin 2 receptor				Bioorg Med Chem Lett 15: 3957-61 (2005) Article DOI: 10.1016/j.bmcl.2005.05.134 BindingDB Entry DOI: 10.7270/Q20G3JQM
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97482 (US8470816, 268) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(cc1)N1CCOCC1 |r| Show InChI InChI=1S/C31H38Cl2N4O4/c1-21(38)35-12-9-23(10-13-35)31(40)37-14-11-29(26(20-37)24-5-8-27(32)28(33)19-24)34(2)30(39)22-3-6-25(7-4-22)36-15-17-41-18-16-36/h3-8,19,23,26,29H,9-18,20H2,1-2H3/t26-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.420	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50071484 (CHEMBL308148 | N-[(R)-4-(4-Acetylamino-4-phenyl-pi...) Show SMILES CN(C[C@@H](CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA				Bioorg Med Chem Lett 6: 951-956 (1996) Article DOI: 10.1016/0960-894X(96)00148-5 BindingDB Entry DOI: 10.7270/Q2GM8794
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97472 (US8470816, 18) Show SMILES CN([C@@H]1CCN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C27H30BrCl2N3O3/c1-17(34)32-12-9-19(10-13-32)27(36)33-14-11-25(22(16-33)20-5-8-23(29)24(30)15-20)31(2)26(35)18-3-6-21(28)7-4-18/h3-8,15,19,22,25H,9-14,16H2,1-2H3/t22?,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.450	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97488 (US8470816, 629) Show SMILES CCOc1cc(C=O)ccc1OCc1ccc(Cl)cc1 Show InChI InChI=1S/C29H36Cl2N4O4/c1-33(28(36)19-2-5-21(6-3-19)34-11-14-38-15-12-34)27-8-10-35(29(37)22-9-13-39-18-26(22)32)17-23(27)20-4-7-24(30)25(31)16-20/h2-7,16,22-23,26-27H,8-15,17-18,32H2,1H3/t22?,23-,26+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.550	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97480 (US8470816, 252) Show SMILES COc1ccc(cc1)C(=O)N(C)[C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C28H33Cl2N3O4/c1-18(34)32-13-10-20(11-14-32)28(36)33-15-12-26(23(17-33)21-6-9-24(29)25(30)16-21)31(2)27(35)19-4-7-22(37-3)8-5-19/h4-9,16,20,23,26H,10-15,17H2,1-3H3/t23-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.560	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97478 (US8470816, 91) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C29H29Cl2F6N3O3/c1-16(41)39-8-5-17(6-9-39)27(43)40-10-7-25(22(15-40)18-3-4-23(30)24(31)13-18)38(2)26(42)19-11-20(28(32,33)34)14-21(12-19)29(35,36)37/h3-4,11-14,17,22,25H,5-10,15H2,1-2H3/t22-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.790	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50409627 (CHEMBL185572) Show SMILES Clc1ccc(cc1Cl)[C@@]1(CCN2CC(C2)N2CCOCC2)CCC(=O)N(CC2CCCCC2)C1 Show InChI InChI=1S/C27H39Cl2N3O2/c28-24-7-6-22(16-25(24)29)27(10-11-30-18-23(19-30)31-12-14-34-15-13-31)9-8-26(33)32(20-27)17-21-4-2-1-3-5-21/h6-7,16,21,23H,1-5,8-15,17-20H2/t27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human Neurokinin 2 receptor				Bioorg Med Chem Lett 15: 3957-61 (2005) Article DOI: 10.1016/j.bmcl.2005.05.134 BindingDB Entry DOI: 10.7270/Q20G3JQM
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50071484 (CHEMBL308148 | N-[(R)-4-(4-Acetylamino-4-phenyl-pi...) Show SMILES CN(C[C@@H](CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity was determined against human NK2 receptor in CHO cells using [125I]-neurokinin A as radioligand				Bioorg Med Chem Lett 6: 605-608 (1996) Article DOI: 10.1016/0960-894X(96)00075-3 BindingDB Entry DOI: 10.7270/Q2B27V80
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97484 (US8470816, 318) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(Br)cn1 |r| Show InChI InChI=1S/C26H29BrCl2N4O3/c1-16(34)32-10-7-17(8-11-32)25(35)33-12-9-24(20(15-33)18-3-5-21(28)22(29)13-18)31(2)26(36)23-6-4-19(27)14-30-23/h3-6,13-14,17,20,24H,7-12,15H2,1-2H3/t20-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.820	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50410049 (CHEMBL434142) Show SMILES NC1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CCC(F)(F)CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C28H40Cl2F2N4O/c29-24-2-1-21(15-25(24)30)27(11-14-34-17-23(18-34)35-12-6-22(33)7-13-35)8-5-26(37)36(19-27)16-20-3-9-28(31,32)10-4-20/h1-2,15,20,22-23H,3-14,16-19,33H2/t27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human Neurokinin 2 receptor				Bioorg Med Chem Lett 15: 3957-61 (2005) Article DOI: 10.1016/j.bmcl.2005.05.134 BindingDB Entry DOI: 10.7270/Q20G3JQM
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97475 (US8470816, 30) Show SMILES CN([C@@H]1CCN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H30Cl3N3O3/c1-17(34)32-12-9-19(10-13-32)27(36)33-14-11-25(22(16-33)20-5-8-23(29)24(30)15-20)31(2)26(35)18-3-6-21(28)7-4-18/h3-8,15,19,22,25H,9-14,16H2,1-2H3/t22?,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM392076 (US10301272, Example 7/9) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12 |r,wU:27.28,wD:29.33,(8.76,1.15,;7.67,.06,;6.19,.46,;7.28,1.55,;8.07,-1.42,;6.98,-2.51,;6.59,-4,;8.07,-3.6,;5.5,-2.11,;5.1,-.63,;3.61,-.23,;2.52,-1.32,;1.03,-.92,;.56,.55,;-.98,.55,;-1.46,-.92,;-.21,-1.82,;-.21,-3.36,;-1.55,-4.13,;-2.88,-3.36,;-4.21,-4.13,;-4.21,-5.67,;-2.88,-6.44,;-1.55,-5.67,;-2.07,1.64,;-1.67,3.12,;-3.56,1.24,;-4.65,2.33,;-6.19,2.33,;-6.19,3.87,;-4.65,3.87,;-7.28,4.96,;-6.88,6.44,;-8.76,4.56,;2.92,-2.8,;1.83,-3.89,;2.23,-5.38,;3.72,-5.78,;4.81,-4.69,;4.41,-3.2,)| Show InChI InChI=1S/C30H37N3O5S2/c1-30(2,3)33-40(37,38)25-14-13-23(21-11-7-8-12-22(21)25)26-24(15-18-9-5-4-6-10-18)32-28(39-26)27(34)31-20-16-19(17-20)29(35)36/h7-8,11-14,18-20,33H,4-6,9-10,15-17H2,1-3H3,(H,31,34)(H,35,36)/t19-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Displacement of [125I]NKA from human recombinant NK2 receptor after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 28: 1446-1455 (2018) Article DOI: 10.1016/j.bmcl.2018.03.093 BindingDB Entry DOI: 10.7270/Q27W6FPC
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50410051 (CHEMBL185182) Show SMILES CS(=O)(=O)N1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CCC(F)(F)CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C28H40Cl2F2N4O3S/c1-40(38,39)36-14-12-34(13-15-36)23-18-33(19-23)11-10-27(22-2-3-24(29)25(30)16-22)7-6-26(37)35(20-27)17-21-4-8-28(31,32)9-5-21/h2-3,16,21,23H,4-15,17-20H2,1H3/t27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human Neurokinin 2 receptor				Bioorg Med Chem Lett 15: 3957-61 (2005) Article DOI: 10.1016/j.bmcl.2005.05.134 BindingDB Entry DOI: 10.7270/Q20G3JQM
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50410048 (CHEMBL434548) Show SMILES OC1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CCC(F)(F)CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C28H39Cl2F2N3O2/c29-24-2-1-21(15-25(24)30)27(11-14-33-17-22(18-33)34-12-6-23(36)7-13-34)8-5-26(37)35(19-27)16-20-3-9-28(31,32)10-4-20/h1-2,15,20,22-23,36H,3-14,16-19H2/t27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human Neurokinin 2 receptor				Bioorg Med Chem Lett 15: 3957-61 (2005) Article DOI: 10.1016/j.bmcl.2005.05.134 BindingDB Entry DOI: 10.7270/Q20G3JQM
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97476 (US8470816, 31) Show SMILES CN([C@@H]1CCN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C33H35Cl2N3O3/c1-22(39)37-17-14-26(15-18-37)33(41)38-19-16-31(28(21-38)27-12-13-29(34)30(35)20-27)36(2)32(40)25-10-8-24(9-11-25)23-6-4-3-5-7-23/h3-13,20,26,28,31H,14-19,21H2,1-2H3/t28?,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50001447 (CHEMBL217406 | His-Lys-Thr-Asp-Ser-Phe-Val-Gly-Leu...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)C)C(N)=O Show InChI InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)/t28-,31+,32+,33+,34+,35+,36+,37+,40+,41+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Creighton University School of Medicine Curated by ChEMBL					Assay Description Inhibitory activity against human Tachykinin receptor 2				J Med Chem 42: 3004-7 (1999) Article DOI: 10.1021/jm9807151 BindingDB Entry DOI: 10.7270/Q2154HQS
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97474 (US8470816, 24) Show SMILES CN([C@@H]1CCN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C28H33Cl2N3O3/c1-18-4-6-20(7-5-18)27(35)31(3)26-12-15-33(17-23(26)22-8-9-24(29)25(30)16-22)28(36)21-10-13-32(14-11-21)19(2)34/h4-9,16,21,23,26H,10-15,17H2,1-3H3/t23?,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM106976 (US8592454, 66) Show SMILES CN([C@@H]1CN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C29H30Cl2F6N4O3/c1-16(42)40-8-6-17(7-9-40)26(43)41-14-22(18-4-5-23(30)24(31)10-18)25(15-41)39(3)27(44)38(2)21-12-19(28(32,33)34)11-20(13-21)29(35,36)37/h4-5,10-13,17,22,25H,6-9,14-15H2,1-3H3/t22?,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligand receptor binding inhibitory assay using human NK receptor.				US Patent US8592454 (2013) BindingDB Entry DOI: 10.7270/Q2XD10B0
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50070352 (1-benzyl-5-(3,4-dichlorophenyl)-5-{3-[1-methylsulf...) Show SMILES CS(=O)(=O)N1CC2(CCN(CCCC3(CCC(=O)N(Cc4ccccc4)C3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc12 Show InChI InChI=1S/C34H39Cl2N3O3S/c1-43(41,42)39-25-34(28-10-5-6-11-31(28)39)17-20-37(21-18-34)19-7-15-33(27-12-13-29(35)30(36)22-27)16-14-32(40)38(24-33)23-26-8-3-2-4-9-26/h2-6,8-13,22H,7,14-21,23-25H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp Laboratory Curated by ChEMBL					Assay Description Compound was evaluated for affinity towards human Neurokinin NK2 receptor				Bioorg Med Chem Lett 8: 1343-8 (1999) BindingDB Entry DOI: 10.7270/Q2QV3N16
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97477 (US8470816, 82) Show SMILES CN([C@@H]1CN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C29H28Cl2F6N2O3/c1-15(40)16-3-5-17(6-4-16)27(42)39-13-22(18-7-8-23(30)24(31)11-18)25(14-39)38(2)26(41)19-9-20(28(32,33)34)12-21(10-19)29(35,36)37/h7-12,16-17,22,25H,3-6,13-14H2,1-2H3/t16?,17?,22?,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50175505 (1-{2-[1-Benzoyl-3-((S)-3,4-dichloro-phenyl)-pyrrol...) Show SMILES NC(=O)C1(CCN(CC[C@]2(CCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 Show InChI InChI=1S/C31H33Cl2N3O2/c32-26-12-11-25(21-27(26)33)30(14-20-36(22-30)28(37)23-7-3-1-4-8-23)13-17-35-18-15-31(16-19-35,29(34)38)24-9-5-2-6-10-24/h1-12,21H,13-20,22H2,(H2,34,38)/t30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against tachykinin receptor 2				J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97473 (US8470816, 21) Show SMILES COc1ccc(cc1)C(=O)N(C)[C@@H]1CCN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C28H33Cl2N3O4/c1-18(34)32-13-10-20(11-14-32)28(36)33-15-12-26(23(17-33)21-6-9-24(29)25(30)16-21)31(2)27(35)19-4-7-22(37-3)8-5-19/h4-9,16,20,23,26H,10-15,17H2,1-3H3/t23?,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM106981 (US8592454, 308) Show SMILES CN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(=O)C(C)(C)O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C31H35F7N4O4/c1-29(2,46)27(44)41-11-9-19(10-12-41)26(43)42-16-24(18-5-7-22(32)8-6-18)25(17-42)40(4)28(45)39(3)23-14-20(30(33,34)35)13-21(15-23)31(36,37)38/h5-8,13-15,19,24-25,46H,9-12,16-17H2,1-4H3/t24-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligand receptor binding inhibitory assay using human NK receptor.				US Patent US8592454 (2013) BindingDB Entry DOI: 10.7270/Q2XD10B0
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50410054 (CHEMBL185133) Show SMILES FC1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CCC3CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C26H36Cl2FN3O/c27-23-4-3-20(15-24(23)28)26(9-5-25(33)32(18-26)11-6-19-1-2-19)10-14-30-16-22(17-30)31-12-7-21(29)8-13-31/h3-4,15,19,21-22H,1-2,5-14,16-18H2/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human Neurokinin 2 receptor				Bioorg Med Chem Lett 15: 3957-61 (2005) Article DOI: 10.1016/j.bmcl.2005.05.134 BindingDB Entry DOI: 10.7270/Q20G3JQM
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50435131 (CHEMBL2390989) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O |r| Show InChI InChI=1S/C35H56N8O10/c1-6-7-13-23(30(37)48)40-32(50)24(14-19(2)3)39-27(45)17-38-35(53)29(20(4)5)43-33(51)25(15-21-11-9-8-10-12-21)41-34(52)26(18-44)42-31(49)22(36)16-28(46)47/h8-12,19-20,22-26,29,44H,6-7,13-18,36H2,1-5H3,(H2,37,48)(H,38,53)(H,39,45)(H,40,50)(H,41,52)(H,42,49)(H,43,51)(H,46,47)/t22-,23-,24-,25-,26-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Binding affinity to human NK2 receptor by radioligand displacement assay				Bioorg Med Chem 21: 2764-71 (2013) Article DOI: 10.1016/j.bmc.2013.03.016 BindingDB Entry DOI: 10.7270/Q2N87C5Q
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50070358 (8-{3-[1-Benzyl-3-(3,4-dichloro-phenyl)-6-oxo-piper...) Show SMILES Clc1ccc(cc1Cl)C1(CCCN2CCC3(CN(NC3=O)c3ccccc3)CC2)CCC(=O)N(Cc2ccccc2)C1 Show InChI InChI=1S/C34H38Cl2N4O2/c35-29-13-12-27(22-30(29)36)33(16-14-31(41)39(24-33)23-26-8-3-1-4-9-26)15-7-19-38-20-17-34(18-21-38)25-40(37-32(34)42)28-10-5-2-6-11-28/h1-6,8-13,22H,7,14-21,23-25H2,(H,37,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp Laboratory Curated by ChEMBL					Assay Description Compound was evaluated for affinity towards human Neurokinin NK2 receptor				Bioorg Med Chem Lett 8: 1343-8 (1999) BindingDB Entry DOI: 10.7270/Q2QV3N16
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50097911 (3-[2-(4-Benzenesulfinylmethyl-4-methoxy-piperidin-...) Show SMILES COC1(CS(=O)c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C23H27FN2O2S/c1-28-23(17-29(27)20-5-3-2-4-6-20)10-13-26(14-11-23)12-9-18-16-25-22-8-7-19(24)15-21(18)22/h2-8,15-16,25H,9-14,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds Curated by ChEMBL					Assay Description Binding affinity of the compound for heterologously expressed human Tachykinin receptor 2 using [3H]-SR- 48968 as radioligand				Bioorg Med Chem Lett 11: 819-22 (2001) BindingDB Entry DOI: 10.7270/Q2PV6JMD
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50410052 (CHEMBL367815) Show SMILES FC1(F)CCC(CN2C[C@](CCN3CC(C3)N3CCC(=O)CC3)(CCC2=O)c2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C28H37Cl2F2N3O2/c29-24-2-1-21(15-25(24)30)27(11-14-33-17-22(18-33)34-12-6-23(36)7-13-34)8-5-26(37)35(19-27)16-20-3-9-28(31,32)10-4-20/h1-2,15,20,22H,3-14,16-19H2/t27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human Neurokinin 2 receptor				Bioorg Med Chem Lett 15: 3957-61 (2005) Article DOI: 10.1016/j.bmcl.2005.05.134 BindingDB Entry DOI: 10.7270/Q20G3JQM
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50435131 (CHEMBL2390989) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O |r| Show InChI InChI=1S/C35H56N8O10/c1-6-7-13-23(30(37)48)40-32(50)24(14-19(2)3)39-27(45)17-38-35(53)29(20(4)5)43-33(51)25(15-21-11-9-8-10-12-21)41-34(52)26(18-44)42-31(49)22(36)16-28(46)47/h8-12,19-20,22-26,29,44H,6-7,13-18,36H2,1-5H3,(H2,37,48)(H,38,53)(H,39,45)(H,40,50)(H,41,52)(H,42,49)(H,43,51)(H,46,47)/t22-,23-,24-,25-,26-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]NKA from human recombinant NK2 receptor expressed in CHO cells measured after 60 mins by scintillation counting method				Bioorg Med Chem 25: 471-482 (2017) Article DOI: 10.1016/j.bmc.2016.11.014 BindingDB Entry DOI: 10.7270/Q2CF9S3S
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50155253 (CHEMBL3775108) Show SMILES CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O |r| Show InChI InChI=1S/C35H56N8O10/c1-6-7-13-23(30(37)48)40-32(50)24(14-19(2)3)39-27(45)17-38-35(53)29(20(4)5)43-33(51)25(15-21-11-9-8-10-12-21)41-34(52)26(18-44)42-31(49)22(36)16-28(46)47/h8-12,19-20,22-26,29,44H,6-7,13-18,36H2,1-5H3,(H2,37,48)(H,38,53)(H,39,45)(H,40,50)(H,41,52)(H,42,49)(H,43,51)(H,46,47)/t22-,23?,24-,25-,26-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]NKA from human recombinant NK2 receptor expressed in CHO cells				Bioorg Med Chem 24: 1793-810 (2016) Article DOI: 10.1016/j.bmc.2016.03.006 BindingDB Entry DOI: 10.7270/Q2J67JS7
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50233962 (CHEMBL4068783) Show SMILES CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(O)=O |r| Show InChI InChI=1S/C35H55N7O11/c1-6-7-13-23(35(52)53)39-31(48)24(14-19(2)3)38-27(44)17-37-34(51)29(20(4)5)42-32(49)25(15-21-11-9-8-10-12-21)40-33(50)26(18-43)41-30(47)22(36)16-28(45)46/h8-12,19-20,22-26,29,43H,6-7,13-18,36H2,1-5H3,(H,37,51)(H,38,44)(H,39,48)(H,40,50)(H,41,47)(H,42,49)(H,45,46)(H,52,53)/t22-,23?,24-,25-,26-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Displacement of [125I]NKA from human recombinant tachykinin NK2 receptor expressed in CHO cells after 60 mins by scintillation counting				J Med Chem 60: 349-361 (2017) Article DOI: 10.1021/acs.jmedchem.6b01422 BindingDB Entry DOI: 10.7270/Q27M0B6T
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50070356 (5-[3-(4-Acetyl-4-phenyl-piperidin-1-yl)-propyl]-1-...) Show SMILES CC(=O)C1(CCN(CCCC2(CCC(=O)N(Cc3ccccc3)C2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 Show InChI InChI=1S/C34H38Cl2N2O2/c1-26(39)34(28-11-6-3-7-12-28)18-21-37(22-19-34)20-8-16-33(29-13-14-30(35)31(36)23-29)17-15-32(40)38(25-33)24-27-9-4-2-5-10-27/h2-7,9-14,23H,8,15-22,24-25H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp Laboratory Curated by ChEMBL					Assay Description Compound was evaluated for affinity towards human Neurokinin NK2 receptor				Bioorg Med Chem Lett 8: 1343-8 (1999) BindingDB Entry DOI: 10.7270/Q2QV3N16
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50410047 (CHEMBL365613 | UK-224671) Show SMILES NS(=O)(=O)N1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C24H35Cl2N5O3S/c25-21-4-3-19(13-22(21)26)24(6-5-23(32)30(17-24)14-18-1-2-18)7-8-28-15-20(16-28)29-9-11-31(12-10-29)35(27,33)34/h3-4,13,18,20H,1-2,5-12,14-17H2,(H2,27,33,34)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human Neurokinin 2 receptor				Bioorg Med Chem Lett 15: 3957-61 (2005) Article DOI: 10.1016/j.bmcl.2005.05.134 BindingDB Entry DOI: 10.7270/Q20G3JQM
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50289182 (1-{2-[1-(3,5-Dibromo-4-methoxy-benzoyl)-3-(3,4-dic...) Show SMILES COc1c(Br)cc(cc1Br)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H33Br2Cl2N3O3/c1-42-28-24(33)17-21(18-25(28)34)29(40)39-16-10-31(20-39,23-7-8-26(35)27(36)19-23)9-13-38-14-11-32(12-15-38,30(37)41)22-5-3-2-4-6-22/h2-8,17-19H,9-16,20H2,1H3,(H2,37,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA				Bioorg Med Chem Lett 6: 951-956 (1996) Article DOI: 10.1016/0960-894X(96)00148-5 BindingDB Entry DOI: 10.7270/Q2GM8794
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50106892 (3-[4-(3,4-dichlorophenyl)-3-[3,5-di(trifluoromethy...) Show SMILES CN([C@H](Cc1ccc(Cl)c(Cl)c1)\C=C\C(=O)N[C@@H]1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H25Cl2F6N3O3/c1-38(25(41)16-12-17(26(30,31)32)14-18(13-16)27(33,34)35)19(10-15-5-7-20(28)21(29)11-15)6-8-23(39)37-22-4-2-3-9-36-24(22)40/h5-8,11-14,19,22H,2-4,9-10H2,1H3,(H,36,40)(H,37,39)/b8-6+/t19-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50106891 (3-[N'-(3,5-Bis-trifluoromethyl-benzoyl)-N-(3,4-dic...) Show SMILES CN(N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H26Cl2F6N4O3/c1-37(24(41)16-11-17(25(29,30)31)13-18(12-16)26(32,33)34)38(14-15-5-6-19(27)20(28)10-15)9-7-22(39)36-21-4-2-3-8-35-23(21)40/h5-6,10-13,21H,2-4,7-9,14H2,1H3,(H,35,40)(H,36,39)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50097912 (3-(1-{2-[(R)-4-Benzoyl-2-(3,4-difluoro-phenyl)-mor...) Show SMILES CN(C)C(=O)NC1(CCN(CC[C@]2(CN(CCO2)C(=O)c2ccccc2)c2ccc(F)c(F)c2)CC1)c1ccccc1 Show InChI InChI=1S/C33H38F2N4O3/c1-37(2)31(41)36-32(26-11-7-4-8-12-26)15-18-38(19-16-32)20-17-33(27-13-14-28(34)29(35)23-27)24-39(21-22-42-33)30(40)25-9-5-3-6-10-25/h3-14,23H,15-22,24H2,1-2H3,(H,36,41)/t33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds Curated by ChEMBL					Assay Description Binding affinity of the compound for heterologously expressed human Tachykinin receptor 2 using [3H]-SR- 48968 as radioligand				Bioorg Med Chem Lett 11: 819-22 (2001) BindingDB Entry DOI: 10.7270/Q2PV6JMD
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50129511 (2-Cyclopropyl-1-{3-(3,4-dichloro-phenyl)-3-[2-(3-m...) Show SMILES Clc1ccc(cc1Cl)C1(CCN2CC(C2)N2CCOCC2)CCN(C1)C(=O)CC1CC1 Show InChI InChI=1S/C24H33Cl2N3O2/c25-21-4-3-19(14-22(21)26)24(6-8-29(17-24)23(30)13-18-1-2-18)5-7-27-15-20(16-27)28-9-11-31-12-10-28/h3-4,14,18,20H,1-2,5-13,15-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity for human tachykinin receptor 2 expressed in CHO cells using [125I]- NKA radioligand				Bioorg Med Chem Lett 13: 2211-5 (2003) BindingDB Entry DOI: 10.7270/Q2D799TN
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50129516 (CHEMBL71918 | N-[2-(3,4-Dichloro-phenyl)-4-piperid...) Show SMILES CN(CC(CCN1CCCCC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C23H28Cl2N2O/c1-26(23(28)18-8-4-2-5-9-18)17-20(12-15-27-13-6-3-7-14-27)19-10-11-21(24)22(25)16-19/h2,4-5,8-11,16,20H,3,6-7,12-15,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity for human tachykinin receptor 2 expressed in CHO cells using [125I]- NKA radioligand				Bioorg Med Chem Lett 13: 2211-5 (2003) BindingDB Entry DOI: 10.7270/Q2D799TN
					More data for this Ligand-Target Pair

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